(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

C18H17N3O2 — CID 10402951

IUPAC(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2
InChIInChI=1S/C18H17N3O2/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyAOPXWEKLKULIEW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds3

About (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone

(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (PubChem CID 10402951) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
PubChem CID10402951
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
SMILESCOc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2
InChIInChI=1S/C18H17N3O2/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyAOPXWEKLKULIEW-UHFFFAOYSA-N
XLogP2.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The IUPAC name of (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone (CID 10402951) is (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The canonical SMILES for (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is COc1nc2nc(C(=O)c3ccccc3)cn2c2c1CCCC2.
What is the InChIKey of (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
The InChIKey is AOPXWEKLKULIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-13-9-5-6-10-15(13)21-11-14(19-18(21)20-17)16(22)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone?
(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone is sourced from PubChem (CID 10402951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).